#define MARGIN_FAC 1.1
-static gmx_bool is_bond(int nnm, t_nm2type nmt[], char *ai, char *aj, real blen)
+static bool is_bond(int nnm, t_nm2type nmt[], char *ai, char *aj, real blen)
{
int i, j;
static void mk_bonds(int nnm, t_nm2type nmt[],
t_atoms *atoms, const rvec x[], t_params *bond, int nbond[],
- gmx_bool bPBC, matrix box)
+ bool bPBC, matrix box)
{
t_param b;
int i, j;
fflush(stderr);
}
-static int *set_cgnr(t_atoms *atoms, gmx_bool bUsePDBcharge, real *qtot, real *mtot)
+static int *set_cgnr(t_atoms *atoms, bool bUsePDBcharge, real *qtot, real *mtot)
{
int i, n = 1;
int *cgnr;
return atype;
}
-static void lo_set_force_const(t_params *plist, real c[], int nrfp, gmx_bool bRound,
- gmx_bool bDih, gmx_bool bParam)
+static void lo_set_force_const(t_params *plist, real c[], int nrfp, bool bRound,
+ bool bDih, bool bParam)
{
int i, j;
double cc;
}
}
-static void set_force_const(t_params plist[], real kb, real kt, real kp, gmx_bool bRound,
- gmx_bool bParam)
+static void set_force_const(t_params plist[], real kb, real kt, real kp, bool bRound,
+ bool bParam)
{
real c[MAXFORCEPARAM];
lo_set_force_const(&plist[F_PDIHS], c, 3, bRound, TRUE, bParam);
}
-static void calc_angles_dihs(t_params *ang, t_params *dih, const rvec x[], gmx_bool bPBC,
+static void calc_angles_dihs(t_params *ang, t_params *dih, const rvec x[], bool bPBC,
matrix box)
{
int i, ai, aj, ak, al, t1, t2, t3;
matrix box; /* box length matrix */
int natoms; /* number of atoms in one molecule */
int epbc;
- gmx_bool bRTP, bTOP, bOPLS;
+ bool bRTP, bTOP, bOPLS;
t_symtab symtab;
real qtot, mtot;
char n2t[STRLEN];
#define NFILE asize(fnm)
real kb = 4e5, kt = 400, kp = 5;
t_restp rtp_header_settings = { nullptr };
- gmx_bool bRemoveDihedralIfWithImproper = FALSE;
- gmx_bool bGenerateHH14Interactions = TRUE;
- gmx_bool bKeepAllGeneratedDihedrals = FALSE;
+ bool bRemoveDihedralIfWithImproper = FALSE;
+ bool bGenerateHH14Interactions = TRUE;
+ bool bKeepAllGeneratedDihedrals = FALSE;
int nrexcl = 3;
- gmx_bool bParam = TRUE, bRound = TRUE;
- gmx_bool bPairs = TRUE, bPBC = TRUE;
- gmx_bool bUsePDBcharge = FALSE, bVerbose = FALSE;
+ bool bParam = TRUE, bRound = TRUE;
+ bool bPairs = TRUE, bPBC = TRUE;
+ bool bUsePDBcharge = FALSE, bVerbose = FALSE;
const char *molnm = "ICE";
const char *ff = "oplsaa";
t_pargs pa[] = {